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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-Benzotriazole, 5-bromo-

Brc1ccc2c(c1)nn[nH]2 Request for Quotation
Chemical Name: 1H-Benzotriazole, 5-bromo-
CAS Number: 32046-62-1
Product Number: AG00I62Q(AGN-PC-0O8VXK)
Synonyms:
MDL No: MFCD00464510
Molecular Formula: C6H4BrN3
Molecular Weight: 198.0201

Identification/Properties

Computed Properties
Molecular Weight:
198.023g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
196.959g/mol
Monoisotopic Mass:
196.959g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
130
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Bromo-1H-benzotriazole is a versatile compound that plays a crucial role in chemical synthesis as a useful building block. Its application in organic chemistry includes acting as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and functional materials. By serving as a brominating agent or a precursor for various functional groups, 5-Bromo-1H-benzotriazole enables the efficient formation of complex molecular structures with specific biological or material properties. Furthermore, its compatibility with a wide range of reaction conditions and its ability to undergo diverse chemical transformations make it a valuable tool for synthetic chemists striving to develop novel compounds for various applications in industry and research.